SCHEMBL1019745

SCHEMBL1019745

OC1CCN(c2nc(Nc3ccc(N4CCNCC4)cc3)nc3[nH]ccc23)C1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.50
TTK P33981 11/20 0.47
EGFR P00533 1/20 0.43
JAK3 P52333 3/20 0.42
BTK Q06187 3/20 0.42
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PAK4 O96013 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1018567 0.82 PTK2 (0.50) PTK2TTKEGFRJAK3BTK
SCHEMBL1074127 0.82 PTK2 (0.50) PTK2TTKEGFRJAK3BTK
SCHEMBL1017917 0.80 PTK2 (0.56) PTK2TTKJAK3BTKHRH4
SCHEMBL1018447 0.79 PTK2 (0.55) PTK2TTKJAK3BTKHRH4
SCHEMBL1018554 0.77 PTK2 (0.50) PTK2TTKEGFRJAK3BTK
SCHEMBL1017060 0.77 AKT2 (0.54) PTK2TTKJAK3BTKHRH4
SCHEMBL1018487 0.75 PBK (0.52) PTK2TTKJAK3BTKHRH4
SCHEMBL1018558 0.72 PTK2 (0.57) PTK2EGFRJAK3BTKPAK4
SCHEMBL27930633 0.70 PTK2 (0.52) PTK2TTKEGFRJAK3BTK
SCHEMBL1018231 0.69 PTK2 (0.58) PTK2TTKEGFRJAK3BTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed